Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Computational physicsComputational physics is the study and implementation of numerical analysis to solve problems in physics. Historically, computational physics was the first application of modern computers in science, and is now a subset of computational science. It is sometimes regarded as a subdiscipline (or offshoot) of theoretical physics, but others consider it an intermediate branch between theoretical and experimental physics - an area of study which supplements both theory and experiment.
Smooth numberIn number theory, an n-smooth (or n-friable) number is an integer whose prime factors are all less than or equal to n. For example, a 7-smooth number is a number whose every prime factor is at most 7, so 49 = 72 and 15750 = 2 × 32 × 53 × 7 are both 7-smooth, while 11 and 702 = 2 × 33 × 13 are not 7-smooth. The term seems to have been coined by Leonard Adleman. Smooth numbers are especially important in cryptography, which relies on factorization of integers.
Sieve theorySieve theory is a set of general techniques in number theory, designed to count, or more realistically to estimate the size of, sifted sets of integers. The prototypical example of a sifted set is the set of prime numbers up to some prescribed limit X. Correspondingly, the prototypical example of a sieve is the sieve of Eratosthenes, or the more general Legendre sieve. The direct attack on prime numbers using these methods soon reaches apparently insuperable obstacles, in the way of the accumulation of error terms.
Computational engineeringComputational Engineering is an emerging discipline that deals with the development and application of computational models for engineering, known as Computational Engineering Models or CEM. At this time, various different approaches are summarized under the term Computational Engineering, including using computational geometry and virtual design for engineering tasks, often coupled with a simulation-driven approach In Computational Engineering, algorithms solve mathematical and logical models that describe engineering challenges, sometimes coupled with some aspect of AI, specifically Reinforcement Learning.
Cluster analysisCluster analysis or clustering is the task of grouping a set of objects in such a way that objects in the same group (called a cluster) are more similar (in some sense) to each other than to those in other groups (clusters). It is a main task of exploratory data analysis, and a common technique for statistical data analysis, used in many fields, including pattern recognition, , information retrieval, bioinformatics, data compression, computer graphics and machine learning.
Determining the number of clusters in a data setDetermining the number of clusters in a data set, a quantity often labelled k as in the k-means algorithm, is a frequent problem in data clustering, and is a distinct issue from the process of actually solving the clustering problem. For a certain class of clustering algorithms (in particular k-means, k-medoids and expectation–maximization algorithm), there is a parameter commonly referred to as k that specifies the number of clusters to detect.
Computational hardness assumptionIn computational complexity theory, a computational hardness assumption is the hypothesis that a particular problem cannot be solved efficiently (where efficiently typically means "in polynomial time"). It is not known how to prove (unconditional) hardness for essentially any useful problem. Instead, computer scientists rely on reductions to formally relate the hardness of a new or complicated problem to a computational hardness assumption about a problem that is better-understood.
Present valueIn economics and finance, present value (PV), also known as present discounted value, is the value of an expected income stream determined as of the date of valuation. The present value is usually less than the future value because money has interest-earning potential, a characteristic referred to as the time value of money, except during times of zero- or negative interest rates, when the present value will be equal or more than the future value. Time value can be described with the simplified phrase, "A dollar today is worth more than a dollar tomorrow".
Utility computingUtility computing, or computer utility, is a service provisioning model in which a service provider makes computing resources and infrastructure management available to the customer as needed, and charges them for specific usage rather than a flat rate. Like other types of on-demand computing (such as grid computing), the utility model seeks to maximize the efficient use of resources and/or minimize associated costs. Utility is the packaging of system resources, such as computation, storage and services, as a metered service.
